1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine

C14H13BrClN — CID 171934623

IUPAC1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C14H13BrClN/c1-17-9-10-5-7-11(8-6-10)12-3-2-4-13(15)14(12)16/h2-8,17H,9H2,1H3
InChIKeyQOMYQPBAKXOPGF-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.49
Rot. Bonds3

About 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine

1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine (PubChem CID 171934623) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine
PubChem CID171934623
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C14H13BrClN/c1-17-9-10-5-7-11(8-6-10)12-3-2-4-13(15)14(12)16/h2-8,17H,9H2,1H3
InChIKeyQOMYQPBAKXOPGF-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine
CID 115503542
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
CID 171934626
1-bromo-2-chloro-3-[4-(2-methoxyethyl)phenyl]benzene
CID 156560224
1-bromo-2-chloro-3-phenylbenzene
CID 14452537
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-methyl-1-[4-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 58609638
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 156560216
N-[[4-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646381
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 106646455
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine (CID 171934623) is 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is QOMYQPBAKXOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-17-9-10-5-7-11(8-6-10)12-3-2-4-13(15)14(12)16/h2-8,17H,9H2,1H3.
What are the key properties of 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine?
1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine has a molecular weight of 310.62 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-2-chlorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 171934623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).